orbital_charges     :real:2:4,11
  0.126869497341350E+001  0.943078849166516E+000  0.102756767160869E+001
  0.988595607135033E+000  0.123994551658710E+001  0.102302383169694E+001
  0.770384835063055E+000  0.102976628856197E+001  0.141420721251919E+001
  0.117969534850267E+001  0.120045592622102E+001  0.118103363078631E+001
  0.759820700372760E+000  0.000000000000000E+000  0.000000000000000E+000
  0.000000000000000E+000  0.758736276395731E+000  0.000000000000000E+000
  0.000000000000000E+000  0.000000000000000E+000  0.759892477807678E+000
  0.000000000000000E+000  0.000000000000000E+000  0.000000000000000E+000
  0.882215309378527E+000  0.000000000000000E+000  0.000000000000000E+000
  0.000000000000000E+000  0.885384772890966E+000  0.000000000000000E+000
  0.000000000000000E+000  0.000000000000000E+000  0.876802842525917E+000
  0.000000000000000E+000  0.000000000000000E+000  0.000000000000000E+000
  0.905806234335910E+000  0.000000000000000E+000  0.000000000000000E+000
  0.000000000000000E+000  0.904891695030502E+000  0.000000000000000E+000
  0.000000000000000E+000  0.000000000000000E+000
forces              :real:2:3,11
 -0.703197910313798E-002 -0.878864016638317E-002 -0.464632039953374E-002
  0.100179018441607E-001  0.116675766427103E-001 -0.150485019349578E-001
  0.330648554169469E-003  0.464305012444991E-002  0.175050875702494E-001
  0.532785090979385E-002 -0.560823136929156E-003 -0.694925410284285E-003
 -0.262589212657363E-002 -0.442738339437908E-002  0.117713244934075E-002
 -0.297286101771015E-002  0.415584443899104E-002 -0.110223838955116E-002
 -0.482545720404873E-002  0.643823646310707E-003  0.103453414298790E-002
  0.246568080585952E-002 -0.413030958170615E-002  0.305072637346944E-002
 -0.344262720678365E-003 -0.105825455964374E-002 -0.143010811471175E-002
 -0.104437388171869E-004 -0.787881860277244E-003  0.213496468710113E-003
 -0.331186203017496E-003 -0.135700215314344E-002 -0.588827557187130E-004
mermin_energy       :real:0:
 -0.859634158948777E+001
end_coords          :real:2:3,11
  0.150074479108984E+001  0.234371376007512E+001  0.347955246277037E+001
  0.801243819157463E-001 -0.119052737280472E-002  0.257059426226391E+001
  0.379645951105506E-001 -0.829589708986147E-001 -0.295383069274771E+000
  0.184911577708436E+001 -0.837904503335895E-001 -0.101344115041499E+001
 -0.874754160113184E+000 -0.166467852059906E+001 -0.973870288214148E+000
 -0.868423578051444E+000  0.148523014072360E+001 -0.101432932162962E+001
 -0.188056081753432E+001 -0.296875952805749E-001  0.323715731021535E+001
  0.100835778750571E+001 -0.174433047101766E+001  0.319378809877747E+001
  0.156112153642493E+001  0.236036224603450E+001  0.555042758461447E+001
  0.344706807302670E+001  0.235970084193850E+001  0.276858085408732E+001
  0.562647015839489E+000  0.408479390239243E+001  0.285174769484468E+001
